| PDB CCD ID: | 40T |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H18 N4 O5 |
| InChI: | InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1 |
| InChIKey: | LMRWZEVJIJNHDI-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C | | CACTVS 3.370 | C[C@H](N)CN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O | | OpenEye OEToolkits 1.7.0 | CC1=CN(C(=O)NC1=O)CC(=O)N(C[C@H](C)N)CC(=O)O | | CACTVS 3.370 | C[CH](N)CN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O | | OpenEye OEToolkits 1.7.0 | CC1=CN(C(=O)NC1=O)CC(=O)N(CC(C)N)CC(=O)O |
|
| Name: | N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
| ZINC: | ZINC000058626778 |
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